1-(Psoralen-8-oxypropyl)thymine
TL;DR: 1-(Psoralen-8-oxypropyl)thymine (CAS 78497-51-5) is a chemical compound with molecular formula C19H16N2O6 and molecular weight 368.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]pyrimidine-2,4-dione
Also Known As: 1-(Psoralen-8-oxypropyl)thymine, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)propyl)-, 5-Methyl-1-(3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)propyl)-2,4(1H,3H)-pyrimidinedione, 5-methyl-1-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]pyrimidine-2,4-dione, 5-Methyl-1-(3-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)propyl)pyrimidine-2,4(1H,3H)-dione
Technical Specifications
| Molecular Formula | C19H16N2O6 |
| Molecular Weight | 368.10083 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.10083 Da |
| Heavy Atoms | 27 |
| Complexity | 702.0 |
| SMILES | CC1=CN(C(=O)NC1=O)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3 |
| InChIKey | GUTMVLOMRYXGMA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Psoralen-8-oxypropyl)thymine
Property Insights of 1-(Psoralen-8-oxypropyl)thymine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Psoralen-8-oxypropyl)thymine. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Psoralen-8-oxypropyl)thymine. Following Lipinski's Rule of Five, 1-(Psoralen-8-oxypropyl)thymine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Psoralen-8-oxypropyl)thymine?
The CAS number of 1-(Psoralen-8-oxypropyl)thymine is 78497-51-5.
What is the molecular formula of 1-(Psoralen-8-oxypropyl)thymine?
The molecular formula of 1-(Psoralen-8-oxypropyl)thymine is C19H16N2O6.
What is the molecular weight of 1-(Psoralen-8-oxypropyl)thymine?
The molecular weight of 1-(Psoralen-8-oxypropyl)thymine is 368.10083 g/mol.
Where can I buy 1-(Psoralen-8-oxypropyl)thymine?
You can request a quote for 1-(Psoralen-8-oxypropyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Psoralen-8-oxypropyl)thymine?
Yes, CoreyChem provides custom synthesis services for 1-(Psoralen-8-oxypropyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.